Ethyl 4-methylbenzoate
Properties
- Molecular formula
- C10H12O2
- Molar mass
- 164.20 g/mol
- Exact mass
- 164.0837 Da
- Density
- 1.025 g/mL (at 20 °C)
- Melting point
- 131 °C
- Boiling point
- 232 °C
- logP
- 2.17Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
94-08-6SMILES
CCOC(=O)c1ccc(C)cc1InChIKey
NWPWRAWAUYIELB-UHFFFAOYSA-NInChI
InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Benzoic acid, 4-methyl-, ethyl ester
- p-Toluic acid, ethyl ester
- Ethyl p-toluate
- Ethyl p-methylbenzoate
- 4-Methylbenzoic acid ethyl ester
- NSC 24767
- 4-Methyl-1-benzoic acid ethyl ester
Work with Ethyl 4-methylbenzoate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Diethyl terephthalate636-09-981 % similar
Diethyl 4,4'-biphenyldicarboxylate47230-38-672 % similar
Ethyl benzoate93-89-067 % similar
Ethylparaben120-47-866 % similar
Ethyl 4-ethoxybenzoate23676-09-766 % similar
Ethyl 4-acetylbenzoate38430-55-666 % similar
Ethyl 4-fluorobenzoate451-46-766 % similar
Ethyl 4-iodobenzoate51934-41-966 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.